ChemSpider 2D Image | 8-Oxo-7,8-Dihydro-2'-Deoxy-Adenosine-5'-Diphosphate | C10H15N5O10P2


  • Molecular FormulaC10H15N5O10P2
  • Average mass427.201 Da
  • Monoisotopic mass427.029419 Da
  • ChemSpider ID25056926
  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2'-Deoxy-8-oxo-8-hydroadenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
2'-Desoxy-8-oxo-8-hydroadenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-8-oxo-8-hydroadénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
8-Hydroadenosine, 2'-deoxy-8-oxo-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
8-hydroxy-2'-deoxyadenosine diphosphate
  • Miscellaneous
    • Chemical Class:

      A purine 2'-deoxyribonucleoside 5'-diphosphate that is dADP in which the hydrogen at position 8 of the purine base has been replaced by a hydroxy group. ChEBI CHEBI:70963, CHEBI:71397
      A purine 2'-deoxyribonucleoside 5'-diphosphate that is the 8-oxo derivative of dADP. ChEBI CHEBI:70963, CHEBI:71397

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
Boiling Point: 919.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.1±3.0 kJ/mol
Flash Point: 509.8±37.1 °C
Index of Refraction: 1.905
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -9.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 170.8±7.0 dyne/cm
Molar Volume: 171.1±7.0 cm3

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